J100-0184 Screening compound: 4-({2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}amino)benzamide

J100-0184 Screening compound: 4-({2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}amino)benzamide
J100-0184 Screening compound: 4-({2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0184
4-({2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}amino)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J100-0184

Molecular Formula

C18H16N4O4 (C18 H16 N4 O4)

Compound Name

4-({2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}amino)benzamide

IUPAC name

4-{2-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]acetamido}benzamide

SMILES

NC(c(cc1)ccc1NC(C[C@H](C(Nc1c2cccc1)=O)NC2=O)=O)=O

InChI

InChI=1S/C18H16N4O4/c19-16(24)10-5-7-11(8-6-10)20-15(23)9-14-18(26)21-13-4-2-1-3-12(13)17(25)22-14/h1-8,14H,9H2,(H2,19,24)(H,20,23)(H,21,26)(H,22,25)/t14-/m1/s1

InChI Key

BOSLZMHERKYMIZ-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.488

Distribution Coefficient, logD

0.476

Water Solubility, LogSw

-2.18

Polar Surface Area

108.159

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

J100-0184 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J100-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0184?
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What is the minimum amount of J100-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0184
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of J100-0184 available by request